3NUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nuc by Molmil](/molmil-images/mine/3nuc) | STAPHLOCOCCAL NUCLEASE, 1-N-PROPANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1997-12-06 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
|
|
5NUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nuc by Molmil](/molmil-images/mine/5nuc) | STAPHYLOCOCCAL NUCLEASE, 1-N-PENTANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1998-01-11 | Release date: | 1998-04-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
|
|
2NUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nuc by Molmil](/molmil-images/mine/2nuc) | STAPHLOCOCCAL NUCLEASE, ETHANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1997-12-06 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
|
|
1OLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ols by Molmil](/molmil-images/mine/1ols) | Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, GLYCEROL, ... | Authors: | Wynn, R.M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2003-08-12 | Release date: | 2003-08-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Roles of His291-Alpha and His146-Beta' in the Reductive Acylation Reaction Catalyzed by Human Branched-Chain Alpha-Ketoacid Dehydrogenase: Refined Phosphorylation Loop Structure in the Active Site. J.Biol.Chem., 278, 2003
|
|
1OLU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1olu by Molmil](/molmil-images/mine/1olu) | Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, GLYCEROL, ... | Authors: | Wynn, R.M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2003-08-15 | Release date: | 2003-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Roles of His291-Alpha and His146-Beta' in the Reductive Acylation Reaction Catalyzed by Human Branched-Chain Alpha-Ketoacid Dehydrogenase: Refined Phosphorylation Loop Structure in the Active Site. J.Biol.Chem., 278, 2003
|
|
1OLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1olx by Molmil](/molmil-images/mine/1olx) | Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, GLYCEROL, ... | Authors: | Wynn, R.M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2003-08-18 | Release date: | 2003-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Roles of His291-Alpha and His146-Beta' in the Reductive Acylation Reaction Catalyzed by Human Branched-Chain Alpha-Ketoacid Dehydrogenase: Refined Phosphorylation Loop Structure in the Active Site. J.Biol.Chem., 278, 2003
|
|
1U5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u5b by Molmil](/molmil-images/mine/1u5b) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, GLYCEROL, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-07-27 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
|
|
1A3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a3t by Molmil](/molmil-images/mine/1a3t) | STAPHYLOCOCCAL NUCLEASE, V23C VARIANT, COMPLEX WITH 2-FLUOROETHANE THIOL AND 3',5'-THYMIDINE DIPHOSPHATE | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1998-01-24 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of straight chain and cyclic unnatural amino acids embedded in the core of staphylococcal nuclease. Protein Sci., 6, 1997
|
|
1A3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a3v by Molmil](/molmil-images/mine/1a3v) | STAPHYLOCOCCAL NUCLEASE, CYCLOPENTANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1998-01-24 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparison of straight chain and cyclic unnatural amino acids embedded in the core of staphylococcal nuclease. Protein Sci., 6, 1997
|
|
1A3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a3u by Molmil](/molmil-images/mine/1a3u) | STAPHYLOCOCCAL NUCLEASE, CYCLOHEXANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1998-01-24 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Comparison of straight chain and cyclic unnatural amino acids embedded in the core of staphylococcal nuclease. Protein Sci., 6, 1997
|
|
1NUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nuc by Molmil](/molmil-images/mine/1nuc) | STAPHYLOCOCCAL NUCLEASE, V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1997-02-15 | Release date: | 1997-06-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
|
|
1X7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x7z by Molmil](/molmil-images/mine/1x7z) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
|
|
1X7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x7y by Molmil](/molmil-images/mine/1x7y) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
|
|
1X80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x80 by Molmil](/molmil-images/mine/1x80) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
|
|
1X7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x7w by Molmil](/molmil-images/mine/1x7w) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
|
|
1X7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x7x by Molmil](/molmil-images/mine/1x7x) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
|
|
1AEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aex by Molmil](/molmil-images/mine/1aex) | STAPHYLOCOCCAL NUCLEASE, METHANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1997-03-01 | Release date: | 1997-06-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
|
|
1A2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a2u by Molmil](/molmil-images/mine/1a2u) | STAPHYLOCOCCAL NUCLEASE, V23C VARIANT, COMPLEX WITH 1-N-BUTANE THIOL AND 3',5'-THYMIDINE DIPHOSPHATE | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1998-01-11 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
|
|
1A2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a2t by Molmil](/molmil-images/mine/1a2t) | STAPHYLOCOCCAL NUCLEASE, B-MERCAPTOETHANOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1998-01-11 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
|
|
3VAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vad by Molmil](/molmil-images/mine/3vad) | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid | Descriptor: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ahmed, K, Gui, W.J, Tso, S.C, Chuang, J.L, Wynn, R.M, Chuang, D.T. | Deposit date: | 2011-12-29 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid To be Published
|
|
5J6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j6a by Molmil](/molmil-images/mine/5j6a) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | Descriptor: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | Deposit date: | 2016-04-04 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
|
|
2J9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j9f by Molmil](/molmil-images/mine/2j9f) | Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ... | Authors: | Jun, L, Machius, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | Deposit date: | 2006-11-07 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The Two Active Sites in Human Branched-Chain Alpha- Keto Acid Dehydrogenase Operate Independently without an Obligatory Alternating-Site Mechanism. J.Biol.Chem., 282, 2007
|
|
1V11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v11 by Molmil](/molmil-images/mine/1v11) | CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ... | Authors: | Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-04-05 | Release date: | 2004-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase J.Biol.Chem., 279, 2004
|
|
1V1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v1m by Molmil](/molmil-images/mine/1v1m) | CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ... | Authors: | Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-04-20 | Release date: | 2004-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain Alpha-Keto Acid Decarboxylase/Dehydrogenase. J.Biol.Chem., 279, 2004
|
|
1V1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v1r by Molmil](/molmil-images/mine/1v1r) | CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, CHLORIDE ION, ... | Authors: | Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-04-22 | Release date: | 2004-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase J.Biol.Chem., 279, 2004
|
|